SCHEMBL7585984

SCHEMBL7585984

CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl.CCNC(=O)C(C)OC(=O)Nc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.34
NPC1 O15118 1/20 0.34
RIPK1 Q13546 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CASP3 P42574 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
GNRHR P30968 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Desmedipham SCHEMBL7588108 0.84 BRD4 (0.37) NPC1CASP3TP53MAPT
SCHEMBL30750946 0.82 ALDH1A1 (0.33) RIPK1TP53MAPT
SCHEMBL7561296 0.82 ALDH1A1 (0.33) RIPK1TP53MAPT
SCHEMBL38910 0.82 ALDH1A1 (0.33) RIPK1TP53MAPT
Simazine SCHEMBL7579563 0.80 GAA (0.32) RIPK1MAPT
Thidiazuron SCHEMBL7582326 0.80 MEN1 (0.32) NTRK1TP53MAPT
Propanil SCHEMBL7585142 0.80 CYP3A4 (0.41) NPC1TP53MAPT
Clopyralid SCHEMBL7589112 0.79 RIPK1 (0.34) RIPK1TP53MAPT
Isoproturon SCHEMBL7587927 0.78 NR3C1 (0.33) RIPK1TP53MAPT
Phenmedipham SCHEMBL7587795 0.78 CYP3A4 (0.45) NPC1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020004457-A1 Herbicidal composition SYNGENTA PARTICIPATIONS AG (CH) 2002-01-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020004457-A1 Herbicidal composition PPOX, ALAD, DDT NTRK1 4538/4885NPC1 4238/4885RIPK1 4584/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.